3-(2-bromo-4-chlorophenyl)-4-(2-bromophenyl)-1,2-oxazol-5-amine

C15H9Br2ClN2O — CID 107988970

IUPAC3-(2-bromo-4-chlorophenyl)-4-(2-bromophenyl)-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccc(Cl)cc2Br)c1-c1ccccc1Br
InChIInChI=1S/C15H9Br2ClN2O/c16-11-4-2-1-3-9(11)13-14(20-21-15(13)19)10-6-5-8(18)7-12(10)17/h1-7H,19H2
InChIKeyLODBHGQVGOSTSN-UHFFFAOYSA-N
MW428.51 g/mol
LogP5.77
Rot. Bonds2

About 3-(2-bromo-4-chlorophenyl)-4-(2-bromophenyl)-1,2-oxazol-5-amine

3-(2-bromo-4-chlorophenyl)-4-(2-bromophenyl)-1,2-oxazol-5-amine (PubChem CID 107988970) has the molecular formula C15H9Br2ClN2O and a molecular weight of 428.51 g/mol. Its IUPAC name is 3-(2-bromo-4-chlorophenyl)-4-(2-bromophenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(2-bromo-4-chlorophenyl)-4-(2-bromophenyl)-1,2-oxazol-5-amine
PubChem CID107988970
Molecular FormulaC15H9Br2ClN2O
Molecular Weight428.51 g/mol
Exact Mass425.88
IUPAC Name3-(2-bromo-4-chlorophenyl)-4-(2-bromophenyl)-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccc(Cl)cc2Br)c1-c1ccccc1Br
InChIInChI=1S/C15H9Br2ClN2O/c16-11-4-2-1-3-9(11)13-14(20-21-15(13)19)10-6-5-8(18)7-12(10)17/h1-7H,19H2
InChIKeyLODBHGQVGOSTSN-UHFFFAOYSA-N
XLogP5.77
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.51
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2-bromo-4-chlorophenyl)-4-(2-bromophenyl)-1,2-oxazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-bromo-4-chlorophenyl)-4-(2-chlorophenyl)-1,2-oxazol-5-amine
CID 107988958
3,4-bis(2-bromophenyl)-1,2-oxazol-5-amine
CID 62830001
3-(2-bromo-4-chlorophenyl)-4-(3-fluorophenyl)-1,2-oxazol-5-amine
CID 107988941
3-(2-bromophenyl)-4-(3,4-dichlorophenyl)-1,2-oxazol-5-amine
CID 63534436
4-(2-bromophenyl)-3-(3-chloro-5-methylphenyl)-1,2-oxazol-5-amine
CID 81317351
3-(2-bromophenyl)-4-phenyl-1,2-oxazol-5-amine
CID 43335720
4-(2-bromophenyl)-3-(2-chloro-6-fluorophenyl)-1,2-oxazol-5-amine
CID 62828603
3-(3-bromo-2-fluorophenyl)-4-(2-bromophenyl)-1,2-oxazol-5-amine
CID 107955344
3-(4-chloro-2-fluorophenyl)-4-phenyl-1,2-oxazol-5-amine
CID 43335730
3-(2,4-dibromophenyl)-4-phenyl-1,2-oxazol-5-amine
CID 107955260
4-(2-bromophenyl)-3-(4-fluorophenyl)-1,2-oxazol-5-amine
CID 62830346
3-(3-bromo-4-methylphenyl)-4-(2-bromophenyl)-1,2-oxazol-5-amine
CID 81460037

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-4-chlorophenyl)-4-(2-bromophenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(2-bromo-4-chlorophenyl)-4-(2-bromophenyl)-1,2-oxazol-5-amine (CID 107988970) is 3-(2-bromo-4-chlorophenyl)-4-(2-bromophenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(2-bromo-4-chlorophenyl)-4-(2-bromophenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(2-bromo-4-chlorophenyl)-4-(2-bromophenyl)-1,2-oxazol-5-amine is Nc1onc(-c2ccc(Cl)cc2Br)c1-c1ccccc1Br.
What is the InChIKey of 3-(2-bromo-4-chlorophenyl)-4-(2-bromophenyl)-1,2-oxazol-5-amine?
The InChIKey is LODBHGQVGOSTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Br2ClN2O/c16-11-4-2-1-3-9(11)13-14(20-21-15(13)19)10-6-5-8(18)7-12(10)17/h1-7H,19H2.
What are the key properties of 3-(2-bromo-4-chlorophenyl)-4-(2-bromophenyl)-1,2-oxazol-5-amine?
3-(2-bromo-4-chlorophenyl)-4-(2-bromophenyl)-1,2-oxazol-5-amine has a molecular weight of 428.51 g/mol, XLogP of 5.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-4-chlorophenyl)-4-(2-bromophenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 107988970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).